Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ad37b896968654e0ced89adde95831b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.482,
"b": 103.711,
"c": 163.199,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.921,3.100],
"number_observations_unique": 17774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 20669,
"number_observations_unique": 3143,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.240
},
{
"type": "R(meas)",
"value": 1.347
},
{
"type": "R(pim)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [48.920,8.770],
"number_observations": 5205,
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}